6-methyl-4-(4-propylphenyl)-1H-pyrimidine-2-thione

C14H16N2S — CID 106517184

IUPAC6-methyl-4-(4-propylphenyl)-1H-pyrimidine-2-thione
SMILESCCCc1ccc(-c2cc(C)[nH]c(=S)n2)cc1
InChIInChI=1S/C14H16N2S/c1-3-4-11-5-7-12(8-6-11)13-9-10(2)15-14(17)16-13/h5-9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyRVCKVPQTCGPJST-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.07
Rot. Bonds3

About 6-methyl-4-(4-propylphenyl)-1H-pyrimidine-2-thione

6-methyl-4-(4-propylphenyl)-1H-pyrimidine-2-thione (PubChem CID 106517184) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 6-methyl-4-(4-propylphenyl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-methyl-4-(4-propylphenyl)-1H-pyrimidine-2-thione
PubChem CID106517184
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name6-methyl-4-(4-propylphenyl)-1H-pyrimidine-2-thione
SMILESCCCc1ccc(-c2cc(C)[nH]c(=S)n2)cc1
InChIInChI=1S/C14H16N2S/c1-3-4-11-5-7-12(8-6-11)13-9-10(2)15-14(17)16-13/h5-9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyRVCKVPQTCGPJST-UHFFFAOYSA-N
XLogP4.07
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4-propylphenyl)-1H-pyrimidine-2-thione?
The IUPAC name of 6-methyl-4-(4-propylphenyl)-1H-pyrimidine-2-thione (CID 106517184) is 6-methyl-4-(4-propylphenyl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-methyl-4-(4-propylphenyl)-1H-pyrimidine-2-thione?
The canonical SMILES for 6-methyl-4-(4-propylphenyl)-1H-pyrimidine-2-thione is CCCc1ccc(-c2cc(C)[nH]c(=S)n2)cc1.
What is the InChIKey of 6-methyl-4-(4-propylphenyl)-1H-pyrimidine-2-thione?
The InChIKey is RVCKVPQTCGPJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-3-4-11-5-7-12(8-6-11)13-9-10(2)15-14(17)16-13/h5-9H,3-4H2,1-2H3,(H,15,16,17).
What are the key properties of 6-methyl-4-(4-propylphenyl)-1H-pyrimidine-2-thione?
6-methyl-4-(4-propylphenyl)-1H-pyrimidine-2-thione has a molecular weight of 244.36 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-propylphenyl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 106517184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).